1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine

C16H20N4 — CID 19626630

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine
SMILESCc1nn(C)cc1C(C)NCc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N4/c1-11(15-10-20(3)19-12(15)2)17-8-13-9-18-16-7-5-4-6-14(13)16/h4-7,9-11,17-18H,8H2,1-3H3
InChIKeyBKWULLIUODHWOK-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.06
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine (PubChem CID 19626630) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine
PubChem CID19626630
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine
SMILESCc1nn(C)cc1C(C)NCc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N4/c1-11(15-10-20(3)19-12(15)2)17-8-13-9-18-16-7-5-4-6-14(13)16/h4-7,9-11,17-18H,8H2,1-3H3
InChIKeyBKWULLIUODHWOK-UHFFFAOYSA-N
XLogP3.06
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 60663811
(1R)-N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 81389478
1-(1,3-dimethylpyrazol-4-yl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 65196934
(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406304
1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 19626669
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 81401542
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 63379064
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 83088818
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763765
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
CID 19625559
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81407385

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine (CID 19626630) is 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine is Cc1nn(C)cc1C(C)NCc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine?
The InChIKey is BKWULLIUODHWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11(15-10-20(3)19-12(15)2)17-8-13-9-18-16-7-5-4-6-14(13)16/h4-7,9-11,17-18H,8H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine has a molecular weight of 268.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-indol-3-ylmethyl)ethanamine is sourced from PubChem (CID 19626630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).